SCHEMBL26873603

SCHEMBL26873603

C=CC(C)(C)c1cc(NC2CCCC2)n2ncc(F)c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2B P67870 1/20 0.46
▸ RAB9A P51151 4/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ NR2F2 P24468 1/20 0.42
▸ KCNH2 Q12809 2/20 0.35
▸ CHEK1 O14757 1/20 0.35
▸ CCNT1 O60563 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ CSNK2A2 P19784 3/20 0.34
▸ CDK2 P24941 2/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MAPKAPK2 P49137 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26871792 0.87 CSNK2B (0.46) CSNK2BRAB9ANPC1MEN1KMT2A
SCHEMBL26873608 0.86 CDK9 (0.48) CCNT1CDK9CDK2MAPKAPK2
SCHEMBL26872849 0.84 CSNK2B (0.45) CSNK2BRAB9ANPC1MEN1KMT2A
SCHEMBL26871783 0.78 CDK9 (0.56) CCNT1CDK9CDK2
SCHEMBL26871243 0.75 KDM4E (0.33) RAB9AKDM4EMAPT
SCHEMBL26871796 0.74 CDK9 (0.48) CCNT1CDK9CDK2
SCHEMBL26873560 0.73 CDK9 (0.63) CCNT1CDK9CDK2GSK3BMAPKAPK2
SCHEMBL26873489 0.71 CSNK2B (0.44) CSNK2BRAB9ANPC1MEN1KMT2A
SCHEMBL26872817 0.71 RAB9A (0.46) CSNK2BRAB9ANPC1MEN1KMT2A
SCHEMBL26869154 0.69 KDM4E (0.34) RAB9ANPC1CDK2GSK3BKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4282868-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE-7-AMINE DERIVATIVE, AND COMPOSITIONS AND MEDICAL USE THEREOF Shanghai Haiyan Pharmaceutical Technology Co., Ltd (CN) 2023-11-29 — — EP disclosed
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